Glycoside
GD117097
Name:
1-({3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl}methyl)-3-(propan-2-yl)ureaFormula:
C17H31O5N3Smiles:
CC1CCN(C(=O)CC2OC(CN=C(O)NC(C)C)C(O)C2O)CC1Aglycone:
CC(=O)N1CCC(C)CC1.CN=C(O)NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.45 | Num_heavy_atoms: | 25 |
| TPSA: | 114.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD22961
Formula: C8H15ON
Smiles:
CC(=O)N1CCC(C)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 141.21 | Num_heavy_atoms: | 10 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
AD46637
Formula: C5H12ON2
Smiles:
CN=C(O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
